General Information of the Compound
Compound ID
CP0541814
Compound Name
(4S,7R)-4-benzyl-4-methoxy-7-methyl-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione
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Structure
Formula
C20H19N3O4
Molecular Weight
365.389
Canonical SMILES
CO[C@]1(Cc2ccccc2)NC(=O)[C@@H](C)n2c1nc1OC=CC=Cc1c2=O
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InChI
InChI=1S/C20H19N3O4/c1-13-16(24)22-20(26-2,12-14-8-4-3-5-9-14)19-21-17-15(18(25)23(13)19)10-6-7-11-27-17/h3-11,13H,12H2,1-2H3,(H,22,24)/t13-,20+/m1/s1
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InChIKey
SVHXOGSMWVXKRF-XCLFUZPHSA-N
Physicochemical Property
logP
1.8953
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
82.45
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 145720949
ChEMBL ID
CHEMBL4473098
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000159 L-02 Homo sapiens (Human)  1
1
EC50 = 15000 nM
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